⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7238825 | 0.77 | — | — | |
| Tert-Butylamine SCHEMBL6243060 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL24571385 | 0.75 | — | — | |
| SCHEMBL1704891 | 0.73 | — | — | |
| SCHEMBL7239914 | 0.73 | — | — | |
| SCHEMBL7049398 | 0.71 | — | — | |
| SCHEMBL21306227 | 0.71 | — | — | |
| SCHEMBL24688775 | 0.71 | — | — | |
| SCHEMBL19161077 | 0.71 | — | — | |
| SCHEMBL28020399 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011036074-A1 | AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-03-31 | — | — | WO | disclosed |
| US-6639109-B1 | Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid | NIHON NOHYAKU CO., LTD. (JP) | 2003-10-28 | — | — | US | disclosed |
| EP-1216988-A1 | THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Nihon Nohyaku Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |